SCHEMBL2599799

SCHEMBL2599799

COC(=O)c1ccc(/C=N/O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.70
NPC1 O15118 2/20 0.70
KMT2A Q03164 3/20 0.66
MAPT P10636 3/20 0.66
GFER P55789 1/20 0.66
ALDH1A1 P00352 2/20 0.63
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
GRIN2D O15399 1/20 0.61
GRIN3B O60391 1/20 0.61
GRIN1 Q05586 1/20 0.61
GRIN2A Q12879 1/20 0.61
GRIN2B Q13224 1/20 0.61
GRIN2C Q14957 1/20 0.61
GRIN3A Q8TCU5 1/20 0.61
KDM4E B2RXH2 3/20 0.58
PTGS2 P35354 2/20 0.54
PTGS1 P23219 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1862570 1.00 RAB9A (0.70) RAB9ANPC1KMT2AMAPTGFER
SCHEMBL738324 1.00 RAB9A (0.70) RAB9ANPC1KMT2AMAPTGFER
Hydrochloric Acid SCHEMBL7329333 0.98 RAB9A (0.68) RAB9ANPC1KMT2AMAPTGFER
Ammonia Solution, Strong SCHEMBL8218102 0.98 RAB9A (0.68) RAB9ANPC1KMT2AMAPTGFER
Hydrochloric Acid SCHEMBL7329327 0.98 RAB9A (0.68) RAB9ANPC1KMT2AMAPTGFER
SCHEMBL6076687 0.83 ALDH1A1 (0.61) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL6076692 0.83 ALDH1A1 (0.61) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL19439618 0.81 ALDH1A1 (0.59) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL13934092 0.81 CA2 (0.88) RAB9ANPC1MAPTALDH1A1CA1
SCHEMBL31490543 0.81 KDM4E (0.53) RAB9ANPC1KMT2AMAPTGFER

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070879-A1 ISOXAZOLINE DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2026-03-12 US disclosed
US-12497370-B2 Isoxazoline derivatives ELANCO TIERGESUNDHEIT AG (CH) 2025-12-16 US disclosed
US-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2025-01-23 US disclosed
CN-117794924-A Compounds useful as inhibitors of ATR kinase 苏州爱科百发生物医药技术有限公司 2024-03-29 CN disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-11589586-B2 Pesticidal and parasiticidal pyrazole-isoxazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2023-02-28 US disclosed
US-11589586-B2 Pesticidal and parasiticidal pyrazole-isoxazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2023-02-28 US disclosed
WO-2005058845-A2 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2005-06-30 WO disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11589586-B2 Pesticidal and parasiticidal pyrazole-isoxazoline compounds PRDX1, PRDX5, P2RX7 RAB9A 992/4885NPC1 4063/4885KMT2A 2293/4885
US-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR ATR, CHEK2, CHEK1 RAB9A 2996/4885NPC1 4286/4885KMT2A 1589/4885
US-12497370-B2 Isoxazoline derivatives CYP3A7, CYP4X1, CYP2A7 RAB9A 1183/4885NPC1 2587/4885KMT2A 1360/4885
US-20260070879-A1 ISOXAZOLINE DERIVATIVES CHRM1, CBR3, AFF1 RAB9A 1217/4885NPC1 1078/4885KMT2A 1987/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC RAB9A 2372/4885NPC1 1905/4885KMT2A 3283/4885
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 RAB9A 2313/4885NPC1 4442/4885KMT2A 1746/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.